SCHEMBL4702876

SCHEMBL4702876

Cc1ccc(Sc2ccc(C(F)(F)F)cc2C2(O)CCNCC2)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 11/20 0.43
HTR3A P46098 11/20 0.43
HTR2A P28223 3/20 0.41
HTR2C P28335 3/20 0.41
CYP1A2 P05177 2/20 0.41
ADRB2 P07550 2/20 0.41
ADRB1 P08588 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
HRH2 P25021 2/20 0.41
HTR1B P28222 2/20 0.41
SLC6A4 P31645 2/20 0.41
HTR7 P34969 2/20 0.41
HRH1 P35367 2/20 0.41
HTR5A P47898 2/20 0.41
HTR6 P50406 2/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
SYK P43405 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4701018 0.88 HTR1A (0.50) HTR1AHTR3AHTR2AHTR2CCYP1A2
SCHEMBL4701297 0.87 HTR1A (0.41) HTR1AHTR3AHTR2CCYP1A2CYP3A4
SCHEMBL4700980 0.82 HTR1A (0.45) HTR1AHTR3AHTR2AHTR2CCYP1A2
SCHEMBL4704131 0.82 HTR1A (0.42) HTR1AHTR3AHTR2AHTR2CCYP1A2
SCHEMBL4704154 0.82 HTR1A (0.54) HTR1AHTR3AHTR2AHTR2CCYP1A2
SCHEMBL2270363 0.80 SIGMAR1 (0.41) HTR3AHTR2AHTR2CSYKSIGMAR1
SCHEMBL4698313 0.78 DRD2 (0.43) HTR1AHTR3AHTR2CCYP1A2CYP3A4
SCHEMBL4702540 0.75 HTR1A (0.50) HTR1AHTR3AHTR2CCYP1A2CYP3A4
SCHEMBL3549260 0.74 HTR1A (0.44) HTR1AHTR3AHTR2AHTR2CCYP1A2
SCHEMBL4700194 0.73 HTR1A (0.55) HTR1AHTR3AHTR2CCYP1A2CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100384822-C 4-(2-phenylsulfanyl-phenyl)-1,2,3,6-tetrahydropyridine derivatives as serotonin reuptake inhibitors LUNDBECK & CO AS H (DK) 2008-04-30 CN disclosed
EP-1613594-B1 4-(2-PHENYLSULFANYL-PHENYL)-1,2,3,6-TETRAHYDROPYRIDINE DERIVATIVES AS SEROTONIN REUPTAKE INHIBITORS LUNDBECK & CO AS H (DK) 2008-03-26 EP disclosed
US-20070173522-A1 4-(2-Phenylsulfanyl-phenyl)-1,2,3,6- tetrahydropyridine derivatives as serotonin reuptake inhibitors H. LUNDBECK A/S (DK) 2007-07-26 US disclosed
EP-1613594-A1 4-(2-PHENYLSULFANYL-PHENYL)-1,2,3,6-TETRAHYDROPYRIDINE DERIVATIVES AS SEROTONIN REUPTAKE INHIBITORS H. LUNDBECK A/S (DK) 2006-01-11 EP disclosed
WO-2004087662-A1 4-(2-PHENYLSULFANYL-PHENYL)-1,2,3,6-TETRAHYDROPYRIDINE DERIVATIVES AS SEROTONIN REUPTAKE INHIBITORS H. LUNDBECK A/S (DK) 2004-10-14 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070173522-A1 4-(2-Phenylsulfanyl-phenyl)-1,2,3,6- tetrahydropyridine derivatives as serotonin reuptake inhibitors TPH1, HTR2C, HTR1D HTR1A 4/4885HTR3A 11/4885HTR2A 13/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.